Name: 5-heptadecylaminoisophthalic acid disodium salt
SMILES:
CCCCCCCCCCCCCCCCCNc1cc(C(=O)[O-])cc(C(=O)[O-])c1.[Na+].[Na+]Molecular Processing
Molecular formula
C25H39NNa2O4
Molecular weight
463.57
Exact mass
463.2674
XLogP
-1.3
TPSA
92.29
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
19
Heavy atoms
32
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
3
Fraction Csp3
0.68
Molar refractivity
118.52
Supplementary Information
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